(2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C32H39Cl2N5O2S — CID 58006862

About (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 58006862) has the molecular formula C32H39Cl2N5O2S and a molecular weight of 628.67 g/mol. Its IUPAC name is (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 58006862
• Molecular Formula: C32H39Cl2N5O2S
• Molecular Weight: 628.67 g/mol
• Exact Mass: 627.22
• IUPAC Name: (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N2[C@H](CN(C)C)CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C32H39Cl2N5O2S/c1-19(2)26-27(30(41)38-24(18-36(4)5)16-17-25(38)29(40)37(6)7)42-31-35-32(3,21-10-14-23(34)15-11-21)28(39(26)31)20-8-12-22(33)13-9-20/h8-15,19,24-25,28H,16-18H2,1-7H3/t24-,25-,28+,32-/m0/s1
• InChIKey: FTIHHRZHQFQNDF-KSHNBWNRSA-N
• XLogP: 6.25
• TPSA: 59.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.67
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The IUPAC name of (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 58006862) is (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC(C)C1=C(C(=O)N2[C@H](CN(C)C)CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?

The InChIKey is FTIHHRZHQFQNDF-KSHNBWNRSA-N. The full InChI is InChI=1S/C32H39Cl2N5O2S/c1-19(2)26-27(30(41)38-24(18-36(4)5)16-17-25(38)29(40)37(6)7)42-31-35-32(3,21-10-14-23(34)15-11-21)28(39(26)31)20-8-12-22(33)13-9-20/h8-15,19,24-25,28H,16-18H2,1-7H3/t24-,25-,28+,32-/m0/s1.

What are the key properties of (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?

(2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 628.67 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-[(dimethylamino)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 58006862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).